N-(2-cyanoethyl)-N-methyl-3-(6-oxopyrimidin-1-yl)propanamide

C11H14N4O2 — CID 63769016

IUPACN-(2-cyanoethyl)-N-methyl-3-(6-oxopyrimidin-1-yl)propanamide
SMILESCN(CCC#N)C(=O)CCn1cnccc1=O
InChIInChI=1S/C11H14N4O2/c1-14(7-2-5-12)10(16)4-8-15-9-13-6-3-11(15)17/h3,6,9H,2,4,7-8H2,1H3
InChIKeyFUYMSQKVOPLNKN-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.01
Rot. Bonds5

About N-(2-cyanoethyl)-N-methyl-3-(6-oxopyrimidin-1-yl)propanamide

N-(2-cyanoethyl)-N-methyl-3-(6-oxopyrimidin-1-yl)propanamide (PubChem CID 63769016) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-3-(6-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-3-(6-oxopyrimidin-1-yl)propanamide
PubChem CID63769016
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC NameN-(2-cyanoethyl)-N-methyl-3-(6-oxopyrimidin-1-yl)propanamide
SMILESCN(CCC#N)C(=O)CCn1cnccc1=O
InChIInChI=1S/C11H14N4O2/c1-14(7-2-5-12)10(16)4-8-15-9-13-6-3-11(15)17/h3,6,9H,2,4,7-8H2,1H3
InChIKeyFUYMSQKVOPLNKN-UHFFFAOYSA-N
XLogP0.01
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-3-(6-oxopyrimidin-1-yl)propanamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-3-(6-oxopyrimidin-1-yl)propanamide (CID 63769016) is N-(2-cyanoethyl)-N-methyl-3-(6-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-3-(6-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-3-(6-oxopyrimidin-1-yl)propanamide is CN(CCC#N)C(=O)CCn1cnccc1=O.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-3-(6-oxopyrimidin-1-yl)propanamide?
The InChIKey is FUYMSQKVOPLNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-14(7-2-5-12)10(16)4-8-15-9-13-6-3-11(15)17/h3,6,9H,2,4,7-8H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-3-(6-oxopyrimidin-1-yl)propanamide?
N-(2-cyanoethyl)-N-methyl-3-(6-oxopyrimidin-1-yl)propanamide has a molecular weight of 234.26 g/mol, XLogP of 0.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-3-(6-oxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 63769016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).